BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 17 hits from Baskent University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426839
PNG
(CHEMBL2323355)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95E+4n/an/an/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant AChE by Dixon plot analysis


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426839
PNG
(CHEMBL2323355)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.05E+4n/an/an/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BuChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426838
PNG
(CHEMBL2323356)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.15E+4n/an/an/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Competitive inhibition of equine BuChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426838
PNG
(CHEMBL2323356)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.08E+4n/an/an/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant AChE at 20 to 40 uM by Dixon plot analysis


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426838
PNG
(CHEMBL2323356)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.38E+4n/an/an/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant AChE at 60 to 100 uM by Dixon plot analysis


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426839
PNG
(CHEMBL2323355)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.88E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426838
PNG
(CHEMBL2323356)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.31E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426840
PNG
(CHEMBL2323354)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H29N3O3/c1-28-21-9-8-20(15-22(21)29-2)16-24-25-23(27)17-26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15-16,19H,10-14,17H2,1-2H3,(H,25,27)/b24-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.51E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426840
PNG
(CHEMBL2323354)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H29N3O3/c1-28-21-9-8-20(15-22(21)29-2)16-24-25-23(27)17-26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15-16,19H,10-14,17H2,1-2H3,(H,25,27)/b24-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.28E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426838
PNG
(CHEMBL2323356)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.73E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426843
PNG
(CHEMBL2323351)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H28N4O3/c1-28-20-9-8-19(14-21(20)29-2)15-23-24-22(27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)/b23-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.17E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426839
PNG
(CHEMBL2323355)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.35E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426843
PNG
(CHEMBL2323351)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H28N4O3/c1-28-20-9-8-19(14-21(20)29-2)15-23-24-22(27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)/b23-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.11E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426841
PNG
(CHEMBL2323353)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)16-23-24-22(27)18-26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17-18H2,1H3,(H,24,27)/b23-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.14E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426842
PNG
(CHEMBL2323352)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/b22-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.83E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50426842
PNG
(CHEMBL2323352)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/b22-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.85E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426841
PNG
(CHEMBL2323353)
Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)16-23-24-22(27)18-26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17-18H2,1H3,(H,24,27)/b23-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.88E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair